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	hartrees
Energy at 0K	-157.187884
Energy at 298.15K	-157.195730
HF Energy	-157.187884
Nuclear repulsion energy	119.590820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3021	9.10
2	A₁	3149	3000	22.54
3	A₁	3046	2902	39.86
4	A₁	1756	1673	25.84
5	A₁	1508	1437	15.18
6	A₁	1453	1385	2.60
7	A₁	1421	1354	0.97
8	A₁	1087	1035	3.01
9	A₁	829	790	0.15
10	A₁	388	370	0.23
11	A₂	3106	2959	0.00
12	A₂	1483	1413	0.00
13	A₂	1025	976	0.00
14	A₂	709	675	0.00
15	A₂	137	130	0.00
16	B₁	3108	2961	40.89
17	B₁	1503	1431	22.54
18	B₁	1113	1060	0.00
19	B₁	933	888	60.08
20	B₁	448	427	9.81
21	B₁	192	183	1.17
22	B₂	3258	3104	19.21
23	B₂	3147	2998	25.89
24	B₂	3042	2898	24.98
25	B₂	1484	1414	6.58
26	B₂	1426	1359	15.22
27	B₂	1310	1248	2.26
28	B₂	994	947	0.16
29	B₂	967	921	0.06
30	B₂	446	425	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.115
C2	0.000	0.000	1.453
H3	0.000	0.925	2.023
H4	0.000	-0.925	2.023
C5	0.000	1.287	-0.676
C6	0.000	-1.287	-0.676
H7	0.000	2.156	-0.016
H8	0.881	1.341	-1.326
H9	-0.881	1.341	-1.326
H10	0.000	-2.156	-0.016
H11	-0.881	-1.341	-1.326
H12	0.881	-1.341	-1.326

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3384	2.1210	2.1210	1.5107	1.5107	2.1602	2.1564	2.1564	2.1602	2.1564	2.1564
C2	1.3384		1.0868	1.0868	2.4882	2.4882	2.6094	3.2090	3.2090	2.6094	3.2090	3.2090
H3	2.1210	1.0868		1.8506	2.7237	3.4903	2.3823	3.4880	3.4880	3.6954	4.1388	4.1388
H4	2.1210	1.0868	1.8506		3.4903	2.7237	3.6954	4.1388	4.1388	2.3823	3.4880	3.4880
C5	1.5107	2.4882	2.7237	3.4903		2.5739	1.0915	1.0958	1.0958	3.5059	2.8468	2.8468
C6	1.5107	2.4882	3.4903	2.7237	2.5739		3.5059	2.8468	2.8468	1.0915	1.0958	1.0958
H7	2.1602	2.6094	2.3823	3.6954	1.0915	3.5059		1.7763	1.7763	4.3125	3.8370	3.8370
H8	2.1564	3.2090	3.4880	4.1388	1.0958	2.8468	1.7763		1.7617	3.8370	3.2090	2.6822
H9	2.1564	3.2090	3.4880	4.1388	1.0958	2.8468	1.7763	1.7617		3.8370	2.6822	3.2090
H10	2.1602	2.6094	3.6954	2.3823	3.5059	1.0915	4.3125	3.8370	3.8370		1.7763	1.7763
H11	2.1564	3.2090	4.1388	3.4880	2.8468	1.0958	3.8370	3.2090	2.6822	1.7763		1.7617
H12	2.1564	3.2090	4.1388	3.4880	2.8468	1.0958	3.8370	2.6822	3.2090	1.7763	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.640	C1	C2	H4	121.640
C1	C5	H7	111.213	C1	C5	H8	110.644
C1	C5	H9	110.644	C1	C6	H10	111.213
C1	C6	H11	110.644	C1	C6	H12	110.644
C2	C1	C5	121.581	C2	C1	C6	121.581
H3	C2	H4	116.720	C5	C1	C6	116.838
H7	C5	H8	108.607	H7	C5	H9	108.607
H8	C5	H9	106.996	H10	C6	H11	108.607
H10	C6	H12	108.607	H11	C6	H12	106.996

All results from a given calculation for CH₂C(CH₃)CH₃ (1-Propene, 2-methyl-)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.341
2	C	-0.381
3	H	0.140
4	H	0.140
5	C	-0.606
6	C	-0.606
7	H	0.161
8	H	0.163
9	H	0.163
10	H	0.161
11	H	0.163
12	H	0.163

<r²>	91.017
(<r²>)^1/2	9.540

All results from a given calculation for CH2C(CH3)CH3 (1-Propene, 2-methyl-)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CH₂C(CH₃)CH₃ (1-Propene, 2-methyl-)